N-[(2-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropanamine

C20H23N3O — CID 46986465

IUPACN-[(2-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropanamine
SMILESCOc1ccccc1CN(Cc1nc2ccccc2n1C)C1CC1
InChIInChI=1S/C20H23N3O/c1-22-18-9-5-4-8-17(18)21-20(22)14-23(16-11-12-16)13-15-7-3-6-10-19(15)24-2/h3-10,16H,11-14H2,1-2H3
InChIKeyMLOVMMVMDSHNPH-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.75
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropanamine

N-[(2-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropanamine (PubChem CID 46986465) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropanamine
PubChem CID46986465
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropanamine
SMILESCOc1ccccc1CN(Cc1nc2ccccc2n1C)C1CC1
InChIInChI=1S/C20H23N3O/c1-22-18-9-5-4-8-17(18)21-20(22)14-23(16-11-12-16)13-15-7-3-6-10-19(15)24-2/h3-10,16H,11-14H2,1-2H3
InChIKeyMLOVMMVMDSHNPH-UHFFFAOYSA-N
XLogP3.75
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-[(3-methylquinoxalin-2-yl)methyl]cyclopropanamine
CID 71891918
1-[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
CID 56701591
1-[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
CID 31018719
N-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine
CID 80666884
2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide
CID 18158832
N-[(2-methoxyphenyl)methyl]-4-methyl-N-(1-methylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxamide;hydrochloride
CID 171667548
1-[4-[(1-methylbenzimidazol-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]piperidin-1-yl]ethanone
CID 139010189
1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79755499
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]guanidine
CID 111217547
N'-cyclopropyl-N'-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine
CID 103641500
N-[(2-methoxyphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71648276
N-(1H-indol-5-ylmethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine
CID 46990657

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropanamine (CID 46986465) is N-[(2-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropanamine is COc1ccccc1CN(Cc1nc2ccccc2n1C)C1CC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropanamine?
The InChIKey is MLOVMMVMDSHNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-22-18-9-5-4-8-17(18)21-20(22)14-23(16-11-12-16)13-15-7-3-6-10-19(15)24-2/h3-10,16H,11-14H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropanamine?
N-[(2-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropanamine has a molecular weight of 321.42 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 46986465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).